1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol

C13H19N3O2 — CID 138384814

IUPAC1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
SMILESCOc1ncc(CN2CCCC2C2(O)CC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-12-14-7-10(8-15-12)9-16-6-2-3-11(16)13(17)4-5-13/h7-8,11,17H,2-6,9H2,1H3
InChIKeyJCPIXHIRGIVDCZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds4

About 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol

1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol (PubChem CID 138384814) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
PubChem CID138384814
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
SMILESCOc1ncc(CN2CCCC2C2(O)CC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-12-14-7-10(8-15-12)9-16-6-2-3-11(16)13(17)4-5-13/h7-8,11,17H,2-6,9H2,1H3
InChIKeyJCPIXHIRGIVDCZ-UHFFFAOYSA-N
XLogP0.97
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
trifluoro-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]boranuide
CID 169307345
2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 163258238
3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 164641718
(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110156248
3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255862
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
N-[4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 125004240
2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 131893140

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol (CID 138384814) is 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol is COc1ncc(CN2CCCC2C2(O)CC2)cn1.
What is the InChIKey of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
The InChIKey is JCPIXHIRGIVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-14-7-10(8-15-12)9-16-6-2-3-11(16)13(17)4-5-13/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 138384814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).